4-cyclopropyl-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C17H18N2OS — CID 57325595

IUPAC4-cyclopropyl-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2sccc2C1C1CC1
InChIInChI=1S/C17H18N2OS/c20-17(18-13-4-2-1-3-5-13)19-10-8-15-14(9-11-21-15)16(19)12-6-7-12/h1-5,9,11-12,16H,6-8,10H2,(H,18,20)
InChIKeyQXKHHDZVPSGWAX-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.29
Rot. Bonds2

About 4-cyclopropyl-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

4-cyclopropyl-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 57325595) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-cyclopropyl-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID57325595
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name4-cyclopropyl-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2sccc2C1C1CC1
InChIInChI=1S/C17H18N2OS/c20-17(18-13-4-2-1-3-5-13)19-10-8-15-14(9-11-21-15)16(19)12-6-7-12/h1-5,9,11-12,16H,6-8,10H2,(H,18,20)
InChIKeyQXKHHDZVPSGWAX-UHFFFAOYSA-N
XLogP4.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of 4-cyclopropyl-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 57325595) is 4-cyclopropyl-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(Nc1ccccc1)N1CCc2sccc2C1C1CC1.
What is the InChIKey of 4-cyclopropyl-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is QXKHHDZVPSGWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c20-17(18-13-4-2-1-3-5-13)19-10-8-15-14(9-11-21-15)16(19)12-6-7-12/h1-5,9,11-12,16H,6-8,10H2,(H,18,20).
What are the key properties of 4-cyclopropyl-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
4-cyclopropyl-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 57325595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).